Geometry & MOs

Info

ID:	16871
PubChem CID:	478077
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-52.11
Dipole, Da:	6.43
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-yloxy-3-methyl-2-phenylsulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)OC1=CC(=O)N(C(=N1)SC2=CC=CC=C2)C

DOS

IR

Vibrations